<div dir="ltr">Dear Gabriele,<div> Thanks a lot for the suggestion. I tried with a lower ecut (as <span style="font-family:arial,sans-serif;font-size:13px">Mehmet Topsakal</span> also suggested) and the problem goes away ! So, it seems that it was a memory issue. </div>
<div> Even though I posted the following question already (in reply to <span style="font-family:arial,sans-serif;font-size:13px">Mehmet Topsakal</span> ) but I'd like to mention it here too:</div><div>
<br></div><div><div style="font-family:arial,sans-serif;font-size:13px"> As I'm interested in band gap calculation and the calculations (e.g. band gap) need to be converged with respect to both q-points and ecutwfc, should I first set a lower ecut and check convergence with q-points or should it be the other way 'round? (because in the second case my system may again run out of memory before getting converged with respect to q-points)</div>
</div><div style="font-family:arial,sans-serif;font-size:13px"><br></div><div style="font-family:arial,sans-serif;font-size:13px">Thanks in advance,</div><div style="font-family:arial,sans-serif;font-size:13px">Rajdeep Banerjee<br>
Ph. D. student<br>Theoretical Sciences Unit<br>Jawaharlal Nehru Centre for Advanced Scientific Research<br> Bangalore, India<br></div></div>